[(1Z)-1-[2-[methyl(diphenyl)silyl]cyclohexylidene]ethyl] 2,2-dimethylpropanoate

C26H34O2Si — CID 101449535

IUPAC[(1Z)-1-[2-[methyl(diphenyl)silyl]cyclohexylidene]ethyl] 2,2-dimethylpropanoate
SMILESC/C(OC(=O)C(C)(C)C)=C1\CCCCC1[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H34O2Si/c1-20(28-25(27)26(2,3)4)23-18-12-13-19-24(23)29(5,21-14-8-6-9-15-21)22-16-10-7-11-17-22/h6-11,14-17,24H,12-13,18-19H2,1-5H3/b23-20-
InChIKeyAPORYPMJDAUJIP-ATJXCDBQSA-N
MW406.64 g/mol
LogP5.69
Rot. Bonds4

About [(1Z)-1-[2-[methyl(diphenyl)silyl]cyclohexylidene]ethyl] 2,2-dimethylpropanoate

[(1Z)-1-[2-[methyl(diphenyl)silyl]cyclohexylidene]ethyl] 2,2-dimethylpropanoate (PubChem CID 101449535) has the molecular formula C26H34O2Si and a molecular weight of 406.64 g/mol. Its IUPAC name is [(1Z)-1-[2-[methyl(diphenyl)silyl]cyclohexylidene]ethyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(1Z)-1-[2-[methyl(diphenyl)silyl]cyclohexylidene]ethyl] 2,2-dimethylpropanoate
PubChem CID101449535
Molecular FormulaC26H34O2Si
Molecular Weight406.64 g/mol
Exact Mass406.23
IUPAC Name[(1Z)-1-[2-[methyl(diphenyl)silyl]cyclohexylidene]ethyl] 2,2-dimethylpropanoate
SMILESC/C(OC(=O)C(C)(C)C)=C1\CCCCC1[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H34O2Si/c1-20(28-25(27)26(2,3)4)23-18-12-13-19-24(23)29(5,21-14-8-6-9-15-21)22-16-10-7-11-17-22/h6-11,14-17,24H,12-13,18-19H2,1-5H3/b23-20-
InChIKeyAPORYPMJDAUJIP-ATJXCDBQSA-N
XLogP5.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.64
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[tert-butyl(diphenyl)silyl] 2,2-dimethylpropanoate
CID 22445131
cyclopentyl-methyl-diphenylsilane
CID 123376620
3-[methyl(diphenyl)silyl]propanoyl 2,2-dimethylpropanoate
CID 10021049
[(Z)-phenyl-(2-phenylcyclohexylidene)methyl] acetate
CID 6211510
6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl 2,2-dimethylpropanoate
CID 101012492
[(Z)-2-(2,2-dimethylpropanoyloxy)prop-1-enyl]-phenyliodanium
CID 134877789
dimethyl-(2-methylidenecyclohexyl)-phenylsilane
CID 13299161
[2-methyl-1-[(1S,6R)-1-phenyl-7-bicyclo[4.1.0]heptanyl]prop-1-enyl] 2,2-dimethylpropanoate
CID 101386328
methyl 2-benzhydrylidenecyclohexane-1-carboxylate
CID 131851980
[1-[(1R,2S)-2-acetyloxy-2-phenylcyclopropyl]-2-methylprop-1-enyl] 2,2-dimethylpropanoate
CID 54763763
[(1E,3Z)-2-methyl-1-[(1S)-1-phenylethoxy]penta-1,3-dien-3-yl] 2,2-dimethylpropanoate
CID 44552071
[1-(2,2-diphenylcyclopropyl)-2-methylprop-1-enyl] 2,2-dimethylpropanoate
CID 135068975

Frequently Asked Questions

What is the IUPAC name of [(1Z)-1-[2-[methyl(diphenyl)silyl]cyclohexylidene]ethyl] 2,2-dimethylpropanoate?
The IUPAC name of [(1Z)-1-[2-[methyl(diphenyl)silyl]cyclohexylidene]ethyl] 2,2-dimethylpropanoate (CID 101449535) is [(1Z)-1-[2-[methyl(diphenyl)silyl]cyclohexylidene]ethyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(1Z)-1-[2-[methyl(diphenyl)silyl]cyclohexylidene]ethyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(1Z)-1-[2-[methyl(diphenyl)silyl]cyclohexylidene]ethyl] 2,2-dimethylpropanoate is C/C(OC(=O)C(C)(C)C)=C1\CCCCC1[Si](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1Z)-1-[2-[methyl(diphenyl)silyl]cyclohexylidene]ethyl] 2,2-dimethylpropanoate?
The InChIKey is APORYPMJDAUJIP-ATJXCDBQSA-N. The full InChI is InChI=1S/C26H34O2Si/c1-20(28-25(27)26(2,3)4)23-18-12-13-19-24(23)29(5,21-14-8-6-9-15-21)22-16-10-7-11-17-22/h6-11,14-17,24H,12-13,18-19H2,1-5H3/b23-20-.
What are the key properties of [(1Z)-1-[2-[methyl(diphenyl)silyl]cyclohexylidene]ethyl] 2,2-dimethylpropanoate?
[(1Z)-1-[2-[methyl(diphenyl)silyl]cyclohexylidene]ethyl] 2,2-dimethylpropanoate has a molecular weight of 406.64 g/mol, XLogP of 5.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z)-1-[2-[methyl(diphenyl)silyl]cyclohexylidene]ethyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 101449535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).